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Compile Data Set for Download or QSAR

Found 110 hits Enz. Inhib. hit(s) with all data for entry = 50015141   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151969
PNG
(3-{4-[4-(2-Cyano-3-fluoro-phenyl)-piperazin-1-yl]-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc(F)c3C#N)c2c1
Show InChI InChI=1S/C24H26FN5O/c25-21-5-3-6-23(20(21)15-26)30-12-10-29(11-13-30)9-2-1-4-18-16-28-22-8-7-17(24(27)31)14-19(18)22/h3,5-8,14,16,28H,1-2,4,9-13H2,(H2,27,31)
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n/an/a 0.0100n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151976
PNG
(3-{4-[4-(2,4-Dimethoxy-phenyl)-piperazin-1-yl]-but...)
Show SMILES COc1ccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C(N)=O)CC2)c(OC)c1
Show InChI InChI=1S/C25H32N4O3/c1-31-20-7-9-23(24(16-20)32-2)29-13-11-28(12-14-29)10-4-3-5-19-17-27-22-8-6-18(25(26)30)15-21(19)22/h6-9,15-17,27H,3-5,10-14H2,1-2H3,(H2,26,30)
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n/an/a 0.0700n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151946
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-21-8-6-20(7-9-21)28-14-12-27(13-15-28)11-3-2-4-19-17-26-23-10-5-18(24(25)29)16-22(19)23/h5-10,16-17,26H,2-4,11-15H2,1H3,(H2,25,29)
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n/an/a 0.0900n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151937
PNG
(3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-23-8-3-2-7-22(23)28-14-12-27(13-15-28)11-5-4-6-19-17-26-21-10-9-18(24(25)29)16-20(19)21/h2-3,7-10,16-17,26H,4-6,11-15H2,1H3,(H2,25,29)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151978
PNG
(3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCC(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C24H29N3O/c25-24(28)20-9-10-23-22(16-20)21(17-26-23)8-4-5-13-27-14-11-19(12-15-27)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,26H,4-5,8,11-15H2,(H2,25,28)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151954
PNG
(3-{4-[4-(4-Acetylamino-phenyl)-piperazin-1-yl]-but...)
Show SMILES CC(=O)Nc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C25H31N5O2/c1-18(31)28-21-6-8-22(9-7-21)30-14-12-29(13-15-30)11-3-2-4-20-17-27-24-10-5-19(25(26)32)16-23(20)24/h5-10,16-17,27H,2-4,11-15H2,1H3,(H2,26,32)(H,28,31)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151932
PNG
(3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H28N4O/c24-23(28)18-9-10-22-21(16-18)19(17-25-22)6-4-5-11-26-12-14-27(15-13-26)20-7-2-1-3-8-20/h1-3,7-10,16-17,25H,4-6,11-15H2,(H2,24,28)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151966
PNG
(3-{4-[4-(4-Hydroxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(O)cc3)c2c1
Show InChI InChI=1S/C23H28N4O2/c24-23(29)17-4-9-22-21(15-17)18(16-25-22)3-1-2-10-26-11-13-27(14-12-26)19-5-7-20(28)8-6-19/h4-9,15-16,25,28H,1-3,10-14H2,(H2,24,29)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151933
PNG
(3-{4-[4-(2-Cyano-phenyl)-piperazin-1-yl]-butyl}-1H...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3C#N)c2c1
Show InChI InChI=1S/C24H27N5O/c25-16-19-5-1-2-7-23(19)29-13-11-28(12-14-29)10-4-3-6-20-17-27-22-9-8-18(24(26)30)15-21(20)22/h1-2,5,7-9,15,17,27H,3-4,6,10-14H2,(H2,26,30)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151948
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H30N4O3/c26-25(30)18-4-6-22-21(15-18)19(17-27-22)3-1-2-8-28-9-11-29(12-10-28)20-5-7-23-24(16-20)32-14-13-31-23/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151950
PNG
(3-{4-[4-(2-Carbamoyl-phenyl)-piperazin-1-yl]-butyl...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3C(N)=O)c2c1
Show InChI InChI=1S/C24H29N5O2/c25-23(30)17-8-9-21-20(15-17)18(16-27-21)5-3-4-10-28-11-13-29(14-12-28)22-7-2-1-6-19(22)24(26)31/h1-2,6-9,15-16,27H,3-5,10-14H2,(H2,25,30)(H2,26,31)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151962
PNG
(3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C25H31N3O2/c1-29-22-6-7-24-23(17-22)20(18-26-24)4-2-3-10-27-11-13-28(14-12-27)21-5-8-25-19(16-21)9-15-30-25/h5-8,16-18,26H,2-4,9-15H2,1H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151930
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H28N4O3/c25-24(29)17-4-6-21-20(13-17)18(15-26-21)3-1-2-8-27-9-11-28(12-10-27)19-5-7-22-23(14-19)31-16-30-22/h4-7,13-15,26H,1-3,8-12,16H2,(H2,25,29)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151957
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-3,6-dihydro-2H-pyrid...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccc4OCOc4c3)c2c1 |c:16|
Show InChI InChI=1S/C25H28N2O3/c1-28-21-6-7-23-22(15-21)20(16-26-23)4-2-3-11-27-12-9-18(10-13-27)19-5-8-24-25(14-19)30-17-29-24/h5-9,14-16,26H,2-4,10-13,17H2,1H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151938
PNG
(4-{1-[4-(5-Methoxy-1H-indol-3-yl)-butyl]-1,2,3,6-t...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccc(O)cc3)c2c1 |c:16|
Show InChI InChI=1S/C24H28N2O2/c1-28-22-9-10-24-23(16-22)20(17-25-24)4-2-3-13-26-14-11-19(12-15-26)18-5-7-21(27)8-6-18/h5-11,16-17,25,27H,2-4,12-15H2,1H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151958
PNG
(3-{4-[4-(2,3-Dihydro-benzofuran-5-yl)-piperazin-1-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCc4c3)c2c1
Show InChI InChI=1S/C25H30N4O2/c26-25(30)19-4-6-23-22(16-19)20(17-27-23)3-1-2-9-28-10-12-29(13-11-28)21-5-7-24-18(15-21)8-14-31-24/h4-7,15-17,27H,1-3,8-14H2,(H2,26,30)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151952
PNG
(3-{4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-pipera...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCOc4c3)c2c1
Show InChI InChI=1S/C25H31N3O3/c1-29-21-6-7-23-22(17-21)19(18-26-23)4-2-3-9-27-10-12-28(13-11-27)20-5-8-24-25(16-20)31-15-14-30-24/h5-8,16-18,26H,2-4,9-15H2,1H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151943
PNG
(Acetic acid 3-{4-[4-(4-methoxy-phenyl)-piperazin-1...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC(C)=O)cc23)CC1
Show InChI InChI=1S/C25H31N3O3/c1-19(29)31-23-10-11-25-24(17-23)20(18-26-25)5-3-4-12-27-13-15-28(16-14-27)21-6-8-22(30-2)9-7-21/h6-11,17-18,26H,3-5,12-16H2,1-2H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151971
PNG
(3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-ind...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
Show InChI InChI=1S/C26H32N4O2/c27-26(31)20-6-8-24-23(17-20)21(18-28-24)4-1-2-10-29-11-13-30(14-12-29)22-7-9-25-19(16-22)5-3-15-32-25/h6-9,16-18,28H,1-5,10-15H2,(H2,27,31)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151934
PNG
(5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-3,6-dihydro-2...)
Show SMILES COc1ccc(cc1)C1=CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1 |t:9|
Show InChI InChI=1S/C25H30N2O2/c1-28-22-8-6-19(7-9-22)20-12-15-27(16-13-20)14-4-3-5-21-18-26-25-11-10-23(29-2)17-24(21)25/h6-12,17-18,26H,3-5,13-16H2,1-2H3
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n/an/a 0.600n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151973
PNG
(3-{4-[4-(3,5-Dichloro-4-methoxy-phenyl)-piperazin-...)
Show SMILES COc1c(Cl)cc(cc1Cl)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H28Cl2N4O2/c1-32-23-20(25)13-18(14-21(23)26)30-10-8-29(9-11-30)7-3-2-4-17-15-28-22-6-5-16(24(27)31)12-19(17)22/h5-6,12-15,28H,2-4,7-11H2,1H3,(H2,27,31)
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n/an/a 0.700n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151953
PNG
(3-{4-[4-(4-Ethoxy-phenyl)-piperazin-1-yl]-butyl}-5...)
Show SMILES CCOc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
Show InChI InChI=1S/C25H33N3O2/c1-3-30-22-9-7-21(8-10-22)28-16-14-27(15-17-28)13-5-4-6-20-19-26-25-12-11-23(29-2)18-24(20)25/h7-12,18-19,26H,3-6,13-17H2,1-2H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151960
PNG
(3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indol-5-o...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C22H27N3O/c26-20-9-10-22-21(16-20)18(17-23-22)6-4-5-11-24-12-14-25(15-13-24)19-7-2-1-3-8-19/h1-3,7-10,16-17,23,26H,4-6,11-15H2
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n/an/a 0.800n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50002173
PNG
(3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151945
PNG
(3-{4-[4-(4-Carbamoyl-phenyl)-piperazin-1-yl]-butyl...)
Show SMILES NC(=O)c1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H29N5O2/c25-23(30)17-4-7-20(8-5-17)29-13-11-28(12-14-29)10-2-1-3-19-16-27-22-9-6-18(24(26)31)15-21(19)22/h4-9,15-16,27H,1-3,10-14H2,(H2,25,30)(H2,26,31)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151940
PNG
(3-[4-(4-{2-Cyano-3-[2-(2-ethoxy-ethoxy)-ethoxy]-ph...)
Show SMILES CCOCCOCCOc1cccc(N2CCN(CCCCc3c[nH]c4ccc(cc34)C(N)=O)CC2)c1C#N
Show InChI InChI=1S/C30H39N5O4/c1-2-37-16-17-38-18-19-39-29-8-5-7-28(26(29)21-31)35-14-12-34(13-15-35)11-4-3-6-24-22-33-27-10-9-23(30(32)36)20-25(24)27/h5,7-10,20,22,33H,2-4,6,11-19H2,1H3,(H2,32,36)
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151964
PNG
(3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indol-5-o...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H28N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,24,26H,4-5,8,11-15H2
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n/an/a 1n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151972
PNG
(Acetic acid 4-{4-[4-(5-methoxy-1H-indol-3-yl)-buty...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC(C)=O)cc3)c2c1
Show InChI InChI=1S/C25H31N3O3/c1-19(29)31-22-8-6-21(7-9-22)28-15-13-27(14-16-28)12-4-3-5-20-18-26-25-11-10-23(30-2)17-24(20)25/h6-11,17-18,26H,3-5,12-16H2,1-2H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151937
PNG
(3-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(cc23)C(N)=O)CC1
Show InChI InChI=1S/C24H30N4O2/c1-30-23-8-3-2-7-22(23)28-14-12-27(13-15-28)11-5-4-6-19-17-26-21-10-9-18(24(25)29)16-20(19)21/h2-3,7-10,16-17,26H,4-6,11-15H2,1H3,(H2,25,29)
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n/an/a 1.20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151975
PNG
(5-Methoxy-3-(4-{4-[4-(2-methoxy-ethoxy)-phenyl]-pi...)
Show SMILES COCCOc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
Show InChI InChI=1S/C26H35N3O3/c1-30-17-18-32-23-8-6-22(7-9-23)29-15-13-28(14-16-29)12-4-3-5-21-20-27-26-11-10-24(31-2)19-25(21)26/h6-11,19-20,27H,3-5,12-18H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151955
PNG
(4-{4-[4-(5-Methoxy-1H-indol-3-yl)-butyl]-piperazin...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(O)cc3)c2c1
Show InChI InChI=1S/C23H29N3O2/c1-28-21-9-10-23-22(16-21)18(17-24-23)4-2-3-11-25-12-14-26(15-13-25)19-5-7-20(27)8-6-19/h5-10,16-17,24,27H,2-4,11-15H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151942
PNG
(5-Ethoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl...)
Show SMILES CCOc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)cc3)c2c1
Show InChI InChI=1S/C25H33N3O2/c1-3-30-23-11-12-25-24(18-23)20(19-26-25)6-4-5-13-27-14-16-28(17-15-27)21-7-9-22(29-2)10-8-21/h7-12,18-19,26H,3-6,13-17H2,1-2H3
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Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151951
PNG
(3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-5-meth...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCCCc4c3)c2c1
Show InChI InChI=1S/C26H33N3O2/c1-30-23-8-9-25-24(18-23)21(19-27-25)5-2-3-11-28-12-14-29(15-13-28)22-7-10-26-20(17-22)6-4-16-31-26/h7-10,17-19,27H,2-6,11-16H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151939
PNG
(CHEMBL364150 | N-(4-{4-[4-(5-Methoxy-1H-indol-3-yl...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(NC(C)=O)cc3)c2c1
Show InChI InChI=1S/C25H32N4O2/c1-19(30)27-21-6-8-22(9-7-21)29-15-13-28(14-16-29)12-4-3-5-20-18-26-25-11-10-23(31-2)17-24(20)25/h6-11,17-18,26H,3-5,12-16H2,1-2H3,(H,27,30)
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n/an/a 3n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151935
PNG
(5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-y...)
Show SMILES COc1ccc(cc1)N1CCN(CCCCc2c[nH]c3ccc(OC)cc23)CC1
Show InChI InChI=1S/C24H31N3O2/c1-28-21-8-6-20(7-9-21)27-15-13-26(14-16-27)12-4-3-5-19-18-25-24-11-10-22(29-2)17-23(19)24/h6-11,17-18,25H,3-5,12-16H2,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151961
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H29N3O3/c1-28-20-6-7-22-21(15-20)18(16-25-22)4-2-3-9-26-10-12-27(13-11-26)19-5-8-23-24(14-19)30-17-29-23/h5-8,14-16,25H,2-4,9-13,17H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151960
PNG
(3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indol-5-o...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C22H27N3O/c26-20-9-10-22-21(16-20)18(17-23-22)6-4-5-11-24-12-14-25(15-13-24)19-7-2-1-3-8-19/h1-3,7-10,16-17,23,26H,4-6,11-15H2
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n/an/a 4.20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151969
PNG
(3-{4-[4-(2-Cyano-3-fluoro-phenyl)-piperazin-1-yl]-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3cccc(F)c3C#N)c2c1
Show InChI InChI=1S/C24H26FN5O/c25-21-5-3-6-23(20(21)15-26)30-12-10-29(11-13-30)9-2-1-4-18-16-28-22-8-7-17(24(27)31)14-19(18)22/h3,5-8,14,16,28H,1-2,4,9-13H2,(H2,27,31)
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n/an/a 5n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50002173
PNG
(3-(4-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-...)
Show SMILES Oc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:15|
Show InChI InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
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n/an/a 5.60n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151933
PNG
(3-{4-[4-(2-Cyano-phenyl)-piperazin-1-yl]-butyl}-1H...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3C#N)c2c1
Show InChI InChI=1S/C24H27N5O/c25-16-19-5-1-2-7-23(19)29-13-11-28(12-14-29)10-4-3-6-20-17-27-22-9-8-18(24(26)30)15-21(20)22/h1-2,5,7-9,15,17,27H,3-4,6,10-14H2,(H2,26,30)
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n/an/a 6.20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151932
PNG
(3-[4-(4-Phenyl-piperazin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H28N4O/c24-23(28)18-9-10-22-21(16-18)19(17-25-22)6-4-5-11-26-12-14-27(15-13-26)20-7-2-1-3-8-20/h1-3,7-10,16-17,25H,4-6,11-15H2,(H2,24,28)
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n/an/a 7n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151974
PNG
(3-{4-[4-(4-Methoxy-phenyl)-piperazin-1-yl]-butyl}-...)
Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)cc3)c2c1
Show InChI InChI=1S/C25H31N3O3/c1-30-22-9-7-21(8-10-22)28-15-13-27(14-16-28)12-4-3-5-20-18-26-24-11-6-19(17-23(20)24)25(29)31-2/h6-11,17-18,26H,3-5,12-16H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50005127
PNG
(1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-b...)
Show SMILES O=C1N(CCCCN2CCN(CC2)c2ncccn2)S(=O)(=O)c2ccccc12
Show InChI InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2
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n/an/a 8.20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151931
PNG
(3-{4-[4-(3,4-Dimethoxy-phenyl)-piperazin-1-yl]-but...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc(OC)c(OC)c3)c2c1
Show InChI InChI=1S/C25H33N3O3/c1-29-21-8-9-23-22(17-21)19(18-26-23)6-4-5-11-27-12-14-28(15-13-27)20-7-10-24(30-2)25(16-20)31-3/h7-10,16-18,26H,4-6,11-15H2,1-3H3
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n/an/a 10n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151978
PNG
(3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCC(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C24H29N3O/c25-24(28)20-9-10-23-22(16-20)21(17-26-23)8-4-5-13-27-14-11-19(12-15-27)18-6-2-1-3-7-18/h1-3,6-7,9-10,16-17,19,26H,4-5,8,11-15H2,(H2,25,28)
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n/an/a 17n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50002177
PNG
(5-Methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:16|
Show InChI InChI=1S/C24H28N2O/c1-27-22-10-11-24-23(17-22)21(18-25-24)9-5-6-14-26-15-12-20(13-16-26)19-7-3-2-4-8-19/h2-4,7-8,10-12,17-18,25H,5-6,9,13-16H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151956
PNG
(5-Methoxy-3-[4-(4-phenyl-piperazin-1-yl)-butyl]-1H...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C23H29N3O/c1-27-21-10-11-23-22(17-21)19(18-24-23)7-5-6-12-25-13-15-26(16-14-25)20-8-3-2-4-9-20/h2-4,8-11,17-18,24H,5-7,12-16H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50151949
PNG
(3-[4-(4-Phenyl-piperidin-1-yl)-butyl]-1H-indole-5-...)
Show SMILES COC(=O)c1ccc2[nH]cc(CCCCN3CCC(CC3)c3ccccc3)c2c1
Show InChI InChI=1S/C25H30N2O2/c1-29-25(28)21-10-11-24-23(17-21)22(18-26-24)9-5-6-14-27-15-12-20(13-16-27)19-7-3-2-4-8-19/h2-4,7-8,10-11,17-18,20,26H,5-6,9,12-16H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Rattus norvegicus (rat))
BDBM50002177
PNG
(5-Methoxy-3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-...)
Show SMILES COc1ccc2[nH]cc(CCCCN3CCC(=CC3)c3ccccc3)c2c1 |c:16|
Show InChI InChI=1S/C24H28N2O/c1-27-22-10-11-24-23(17-22)21(18-25-24)9-5-6-14-26-15-12-20(13-16-26)19-7-3-2-4-8-19/h2-4,7-8,10-12,17-18,25H,5-6,9,13-16H2,1H3
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n/an/a 20n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Inhibition of 8-OH DPAT bindign to rat hydroxytryptamine 1A receptor expressed in CHO cells


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Rattus norvegicus (rat))
BDBM50151930
PNG
(3-[4-(4-Benzo[1,3]dioxol-5-yl-piperazin-1-yl)-buty...)
Show SMILES NC(=O)c1ccc2[nH]cc(CCCCN3CCN(CC3)c3ccc4OCOc4c3)c2c1
Show InChI InChI=1S/C24H28N4O3/c25-24(29)17-4-6-21-20(13-17)18(15-26-21)3-1-2-8-27-9-11-28(12-10-27)19-5-7-22-23(14-19)31-16-30-22/h4-7,13-15,26H,1-3,8-12,16H2,(H2,25,29)
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n/an/a 22n/an/an/an/an/an/a



Merck KGaA

Curated by ChEMBL


Assay Description
Displacement of [3H]-spiperone from dopamine D2 receptor of rat striatal membranes


J Med Chem 47: 4677-83 (2004)


Article DOI: 10.1021/jm040792y
BindingDB Entry DOI: 10.7270/Q28S4PCR
More data for this
Ligand-Target Pair
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